[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(4-fluoranylphenoxy)butanoate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(4-fluoranylphenoxy)butanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-(4-fluorophenoxy)butanoate CAS Name: 3-(4-fluorophenoxy)butanoic acid [3-(5-bromo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-(4-fluorophenoxy)butanoate Traditional Name: 3-(4-fluorophenoxy)butyric acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H19BrFN3O4S MolecularWeight: 460.317863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Br)[O-])C)OC3=CC=C(C=C3)F

Isomeric SMILES

CC(CC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Br)[O-])C)OC3=CC=C(C=C3)F

InChI

InChI=1S/C17H19BrFN3O4S/c1-11(25-13-5-3-12(19)4-6-13)7-16(23)26-15-9-21(2)10-22(15,24)17-20-8-14(18)27-17/h3-6,8,11,15H,7,9-10H2,1-2H3